N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide

C23H27N3O2 — CID 4144351

IUPACN-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccccc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H27N3O2/c27-22(24-16-14-19-17-26-21-12-7-6-11-20(19)21)13-5-2-8-15-25-23(28)18-9-3-1-4-10-18/h1,3-4,6-7,9-12,17,26H,2,5,8,13-16H2,(H,24,27)(H,25,28)
InChIKeyBBVOIAMXYYVXEY-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.82
Rot. Bonds10

About N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide

N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide (PubChem CID 4144351) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide.

Molecular Properties

Compound NameN-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide
PubChem CID4144351
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccccc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H27N3O2/c27-22(24-16-14-19-17-26-21-12-7-6-11-20(19)21)13-5-2-8-15-25-23(28)18-9-3-1-4-10-18/h1,3-4,6-7,9-12,17,26H,2,5,8,13-16H2,(H,24,27)(H,25,28)
InChIKeyBBVOIAMXYYVXEY-UHFFFAOYSA-N
XLogP3.82
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide
CID 26710991
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 75493600
N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide
CID 127253981
N-[2-[4-(1H-indol-3-yl)butanoylamino]ethyl]-4-(trifluoromethyl)benzamide
CID 55545954
hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
CID 70007907
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043503
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide?
The IUPAC name of N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide (CID 4144351) is N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide.
What is the SMILES notation for N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide?
The canonical SMILES for N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide is O=C(CCCCCNC(=O)c1ccccc1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide?
The InChIKey is BBVOIAMXYYVXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(24-16-14-19-17-26-21-12-7-6-11-20(19)21)13-5-2-8-15-25-23(28)18-9-3-1-4-10-18/h1,3-4,6-7,9-12,17,26H,2,5,8,13-16H2,(H,24,27)(H,25,28).
What are the key properties of N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide?
N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide has a molecular weight of 377.49 g/mol, XLogP of 3.82, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide is sourced from PubChem (CID 4144351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).